0 mol 15 unq 0 iso 0 dist 8.38064 7.07399 4.29582 5.49251 9.84471 6.23015 10.6338 11.7498 10.1154 8.85174 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 4.7319 6.72833 6.51133 6.86055 7.65889 5.94982 11.0958 10.2656 5.30082 6.42835 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 5.05803 6.93532 5.30082 5.01101 6.42835 5.94982 11.6856 10.2656 6.51133 7.65889 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 6.31718 6.93532 10.4366 5.01101 11.0298 5.94982 11.6856 16.4761 6.51133 7.65889 numMergedOcc 0
4 mol 16 unq 3 iso 0 dist 6.31718 6.93532 10.4366 5.01101 11.0298 5.94982 5.05803 6.92781 5.30082 6.42835 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 6.86014 9.01567 8.67951 8.91183 12.5088 6.19899 11.0194 11.4989 4.50066 5.68215 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 6.86014 7.29868 8.52463 8.91183 12.5088 6.61696 11.0194 11.4989 5.11617 5.68215 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 8.86116 8.60554 8.52463 14.8647 12.5088 6.61696 13.2433 11.4989 5.11617 5.68215 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 8.86116 9.44691 13.4893 14.4081 17.9275 9.586 15.5296 19.2131 6.7828 7.27472 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 8.38394 8.60554 12.3994 14.8647 17.9146 6.61696 13.2433 15.4364 5.11617 5.68215 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 8.38394 8.60554 12.3994 5.11636 10.9819 5.80953 8.86116 6.44287 8.52463 7.95042 numMergedOcc 0
11 mol 24 unq 6 iso 0 dist 8.38394 9.44691 12.505 14.4081 19.8965 9.586 15.5296 19.1123 6.7828 7.27472 numMergedOcc 0
12 mol 24 unq 7 iso 0 dist 5.54419 8.4051 5.11617 13.6174 10.9113 5.80953 15.5324 11.4989 8.52463 7.95042 numMergedOcc 0
13 mol 24 unq 8 iso 0 dist 5.54419 8.23446 13.1779 6.28159 10.4135 4.5711 7.36323 12.3067 6.38336 8.87744 numMergedOcc 0
14 mol 24 unq 9 iso 0 dist 5.54419 8.23446 13.1779 5.50396 9.33482 4.44526 7.36323 12.3067 6.38336 7.27472 numMergedOcc 0
15 mol 24 unq 10 iso 0 dist 5.54419 8.75662 10.8238 5.50396 9.33482 9.586 7.36323 12.3067 6.7828 7.27472 numMergedOcc 0
16 mol 24 unq 11 iso 0 dist 7.36323 8.4051 13.2229 10.1698 17.003 6.61696 5.54419 12.3067 5.11617 5.68215 numMergedOcc 0
17 mol 24 unq 12 iso 0 dist 7.36323 8.4051 13.2229 13.6174 16.707 5.80953 15.5324 19.2131 8.52463 7.95042 numMergedOcc 0
18 mol 25 unq 0 iso 0 dist 5.04899 8.87757 5.77929 13.6145 9.49421 6.53269 11.9561 10.9391 6.08585 9.48085 numMergedOcc 0
19 mol 25 unq 1 iso 0 dist 7.57578 6.16347 9.34396 5.63212 10.9703 5.20109 11.9561 15.5644 7.33728 7.05196 numMergedOcc 0
20 mol 25 unq 2 iso 0 dist 7.57578 8.50222 6.08585 13.2447 11.037 9.16515 12.7009 10.9391 5.77929 6.55597 numMergedOcc 0
21 mol 25 unq 3 iso 0 dist 7.57578 8.50222 6.08585 11.8139 13.0315 9.82987 12.7009 10.9391 5.77929 7.07751 numMergedOcc 0
22 mol 25 unq 4 iso 0 dist 7.57578 8.50222 6.08585 5.18617 9.48085 6.53269 12.7009 10.9391 5.77929 9.49421 numMergedOcc 0
23 mol 25 unq 5 iso 0 dist 7.17969 6.16347 10.8498 5.63212 10.3338 5.20109 11.9561 16.1048 7.33728 7.05196 numMergedOcc 0
24 mol 25 unq 6 iso 0 dist 7.17969 7.55264 6.08585 14.9982 11.037 9.16515 12.8117 10.9391 5.77929 6.55597 numMergedOcc 0
25 mol 25 unq 7 iso 0 dist 7.17969 7.55264 6.08585 14.1251 13.0315 9.82987 12.8117 10.9391 5.77929 7.07751 numMergedOcc 0
26 mol 25 unq 8 iso 0 dist 7.17969 7.55264 6.08585 5.68041 9.48085 6.53269 12.8117 10.9391 5.77929 9.49421 numMergedOcc 0
27 mol 58 unq 0 iso 0 dist 6.86465 8.80614 10.2049 9.87158 13.3281 9.01564 6.62496 5.30792 9.95364 9.22598 numMergedOcc 0
28 mol 58 unq 1 iso 0 dist 6.86465 8.80614 10.2049 9.87158 13.3281 9.01564 6.35756 5.35073 5.49591 8.96727 numMergedOcc 0
29 mol 58 unq 2 iso 0 dist 6.86465 8.80614 10.2049 5.86526 11.5155 7.11065 6.35756 5.35073 5.49591 8.01308 numMergedOcc 0
30 mol 58 unq 3 iso 0 dist 6.62496 8.80614 9.95364 9.87158 9.22598 9.01564 6.35756 4.81926 5.49591 8.96727 numMergedOcc 0
31 mol 58 unq 4 iso 0 dist 6.62496 8.80614 9.95364 5.86526 9.55996 7.11065 6.35756 4.81926 5.49591 8.01308 numMergedOcc 0
32 mol 58 unq 5 iso 0 dist 6.35756 8.80614 5.49591 9.87158 8.96727 9.01564 6.62496 4.81926 9.95364 9.22598 numMergedOcc 0
33 mol 72 unq 0 iso 0 dist 8.8178 9.27838 15.434 5.69391 13.6019 7.58875 9.96708 10.7394 11.6378 9.55118 numMergedOcc 0
34 mol 73 unq 0 iso 0 dist 9.96396 9.24757 5.11416 6.20232 12.2276 8.96616 6.19304 5.4148 6.56633 8.68662 numMergedOcc 0
35 mol 73 unq 1 iso 0 dist 9.96396 9.24757 5.11416 5.70116 9.73086 6.14542 6.19304 5.4148 6.56633 7.4369 numMergedOcc 0
36 mol 73 unq 2 iso 0 dist 6.19304 9.24757 6.56633 5.70116 7.4369 6.14542 9.96396 5.4148 5.11416 9.73086 numMergedOcc 0
37 mol 73 unq 3 iso 0 dist 8.70481 9.24757 15.3808 6.20232 13.8931 8.96616 6.19304 13.3558 6.56633 8.68662 numMergedOcc 0
38 mol 73 unq 4 iso 0 dist 8.70481 9.24757 15.3808 5.70116 12.8207 6.14542 9.96396 14.9342 5.11416 9.73086 numMergedOcc 0
39 mol 73 unq 5 iso 0 dist 8.70481 9.24757 15.3808 5.70116 12.8207 6.14542 6.19304 13.3558 6.56633 7.4369 numMergedOcc 0
40 mol 98 unq 0 iso 0 dist 5.08437 6.65501 4.4057 10.4782 9.81956 8.46823 17.4071 18.6405 16.4267 9.64383 numMergedOcc 0
41 mol 98 unq 1 iso 0 dist 5.08437 6.65501 4.4057 10.4782 9.81956 8.46823 6.10456 8.40073 9.67482 7.54889 numMergedOcc 0
42 mol 98 unq 2 iso 0 dist 5.08437 6.65501 4.4057 10.4782 9.81956 8.46823 10.1136 10.2427 12.0974 7.78931 numMergedOcc 0
43 mol 98 unq 3 iso 0 dist 5.08437 6.65501 4.4057 3.9764 5.10496 4.62494 6.48948 9.51923 7.42446 5.92242 numMergedOcc 0
44 mol 98 unq 4 iso 0 dist 5.08437 6.65501 4.4057 3.9764 5.10496 4.62494 6.10456 8.40073 9.67482 5.2571 numMergedOcc 0
45 mol 98 unq 5 iso 0 dist 5.08437 6.65501 4.4057 3.9764 5.10496 4.62494 10.1136 10.2427 12.0974 8.7497 numMergedOcc 0
46 mol 98 unq 6 iso 0 dist 6.48948 6.65501 7.42446 10.4782 10.8223 8.46823 17.4071 14.7899 16.4267 9.64383 numMergedOcc 0
47 mol 98 unq 7 iso 0 dist 6.48948 6.65501 7.42446 10.4782 10.8223 8.46823 6.10456 9.42358 9.67482 7.54889 numMergedOcc 0
48 mol 98 unq 8 iso 0 dist 6.48948 6.65501 7.42446 10.4782 10.8223 8.46823 10.1136 13.9786 12.0974 7.78931 numMergedOcc 0
49 mol 98 unq 9 iso 0 dist 6.48948 6.65501 7.42446 3.9764 5.92242 4.62494 5.08437 9.51923 4.4057 5.10496 numMergedOcc 0
50 mol 98 unq 10 iso 0 dist 6.48948 6.65501 7.42446 3.9764 5.92242 4.62494 6.10456 9.42358 9.67482 5.2571 numMergedOcc 0
51 mol 98 unq 11 iso 0 dist 6.48948 6.65501 7.42446 3.9764 5.92242 4.62494 10.1136 13.9786 12.0974 8.7497 numMergedOcc 0
52 mol 98 unq 12 iso 0 dist 6.10456 6.65501 9.67482 10.4782 7.54889 8.46823 17.4071 13.659 16.4267 9.64383 numMergedOcc 0
53 mol 98 unq 13 iso 0 dist 6.10456 6.65501 9.67482 10.4782 7.54889 8.46823 10.1136 5.02887 12.0974 7.78931 numMergedOcc 0
54 mol 98 unq 14 iso 0 dist 6.10456 6.65501 9.67482 3.9764 5.2571 4.62494 5.08437 8.40073 4.4057 5.10496 numMergedOcc 0
55 mol 98 unq 15 iso 0 dist 6.10456 6.65501 9.67482 3.9764 5.2571 4.62494 6.48948 9.42358 7.42446 5.92242 numMergedOcc 0
56 mol 98 unq 16 iso 0 dist 6.10456 6.65501 9.67482 3.9764 5.2571 4.62494 10.1136 5.02887 12.0974 8.7497 numMergedOcc 0
57 mol 100 unq 0 iso 0 dist 9.60661 7.01812 5.80144 4.03277 8.91882 6.59691 10.1489 10.8375 5.42531 9.21662 numMergedOcc 0
58 mol 100 unq 1 iso 0 dist 7.17106 7.01812 8.4128 4.03277 10.5432 6.59691 9.60661 11.5403 5.80144 8.91882 numMergedOcc 0
59 mol 100 unq 2 iso 0 dist 7.17106 7.01812 8.4128 4.03277 10.5432 6.59691 10.1489 10.8586 5.42531 9.21662 numMergedOcc 0
60 mol 100 unq 3 iso 0 dist 9.35224 7.01812 10.0456 4.03277 11.5088 6.59691 9.60661 7.80879 5.80144 8.91882 numMergedOcc 0
61 mol 100 unq 4 iso 0 dist 9.35224 7.01812 10.0456 4.03277 11.5088 6.59691 10.1489 15.1999 5.42531 9.21662 numMergedOcc 0
62 mol 100 unq 5 iso 0 dist 7.47343 8.30845 12.2861 6.23008 9.76432 6.59691 6.65086 8.8807 5.80144 8.91882 numMergedOcc 0
63 mol 100 unq 6 iso 0 dist 7.47343 8.30845 12.2861 6.23008 9.76432 6.59691 13.2001 16.3949 5.42531 9.21662 numMergedOcc 0
64 mol 100 unq 7 iso 0 dist 6.65086 8.30845 5.80144 6.23008 8.91882 6.59691 13.2001 10.8375 5.42531 9.21662 numMergedOcc 0
65 mol 100 unq 8 iso 0 dist 6.56369 8.30845 10.0456 6.23008 11.5088 6.59691 6.65086 7.80879 5.80144 8.91882 numMergedOcc 0
66 mol 100 unq 9 iso 0 dist 6.56369 8.30845 10.0456 6.23008 11.5088 6.59691 13.2001 15.1999 5.42531 9.21662 numMergedOcc 0
67 mol 100 unq 10 iso 0 dist 9.30209 8.30845 6.70236 6.23008 11.6812 6.59691 6.65086 5.38414 5.80144 8.91882 numMergedOcc 0
68 mol 100 unq 11 iso 0 dist 9.30209 8.30845 6.70236 6.23008 11.6812 6.59691 13.2001 11.2306 5.42531 9.21662 numMergedOcc 0
69 mol 109 unq 0 iso 0 dist 8.69985 7.80523 7.74599 5.00433 8.52024 7.56755 13.1098 7.15843 10.0688 9.89083 numMergedOcc 0
70 mol 119 unq 0 iso 0 dist 6.18601 8.00003 10.4376 9.85023 13.6983 6.18678 13.4378 16.1743 6.36778 9.77575 numMergedOcc 0
71 mol 119 unq 1 iso 0 dist 6.18601 6.73586 5.13589 4.39676 8.95212 8.67537 10.1813 10.9871 10.8661 6.99446 numMergedOcc 0
72 mol 119 unq 2 iso 0 dist 6.18601 6.73586 5.13589 4.39676 8.95212 8.67537 9.72413 9.93257 12.0175 7.64052 numMergedOcc 0
73 mol 129 unq 0 iso 0 dist 9.61051 7.58957 5.68211 6.28232 11.3039 6.34626 10.1333 10.4792 4.92472 5.51197 numMergedOcc 0
74 mol 129 unq 1 iso 0 dist 5.83384 7.58957 10.5488 6.28232 11.7541 6.34626 10.1333 14.6152 4.92472 5.51197 numMergedOcc 0
75 mol 134 unq 0 iso 0 dist 9.89303 7.69991 4.60632 12.847 13.0242 9.0176 13.8307 9.51251 7.1797 9.66543 numMergedOcc 0
76 mol 134 unq 1 iso 0 dist 9.89303 7.69991 4.60632 12.847 13.0242 9.0176 11.9139 6.86927 4.57832 7.21868 numMergedOcc 0
77 mol 134 unq 2 iso 0 dist 9.89303 7.69991 4.60632 12.847 13.0242 9.0176 9.5126 7.11631 5.29786 7.93372 numMergedOcc 0
78 mol 134 unq 3 iso 0 dist 6.54501 7.69991 5.71679 12.847 11.988 9.0176 13.8307 12.8168 7.1797 9.66543 numMergedOcc 0
79 mol 134 unq 4 iso 0 dist 6.54501 7.69991 5.71679 12.847 11.988 9.0176 11.9139 8.80819 4.57832 7.21868 numMergedOcc 0
80 mol 134 unq 5 iso 0 dist 6.54501 7.69991 5.71679 12.847 11.988 9.0176 9.5126 5.00817 5.29786 7.93372 numMergedOcc 0
81 mol 134 unq 6 iso 0 dist 8.94367 6.23142 4.57832 8.06642 7.21868 9.0176 11.7385 5.62899 7.1797 9.66543 numMergedOcc 0
82 mol 134 unq 7 iso 0 dist 8.94367 6.23142 4.57832 8.06642 7.21868 9.0176 6.37586 5.49782 5.29786 7.93372 numMergedOcc 0
83 mol 134 unq 8 iso 0 dist 6.37586 6.23142 5.29786 8.06642 7.93372 9.0176 11.7385 10.7144 7.1797 9.66543 numMergedOcc 0
84 mol 134 unq 9 iso 0 dist 6.37586 6.23142 5.29786 8.06642 7.93372 9.0176 8.94367 5.49782 4.57832 7.21868 numMergedOcc 0
85 mol 134 unq 10 iso 0 dist 6.49416 6.23142 5.71679 8.06642 11.988 9.0176 11.7385 12.8168 7.1797 9.66543 numMergedOcc 0
86 mol 134 unq 11 iso 0 dist 6.49416 6.23142 5.71679 8.06642 11.988 9.0176 8.94367 8.80819 4.57832 7.21868 numMergedOcc 0
87 mol 134 unq 12 iso 0 dist 6.49416 6.23142 5.71679 8.06642 11.988 9.0176 6.37586 5.00817 5.29786 7.93372 numMergedOcc 0
88 mol 134 unq 13 iso 0 dist 9.86662 9.94764 4.57832 4.00092 7.21868 9.0176 11.3835 5.62899 7.1797 9.66543 numMergedOcc 0
89 mol 134 unq 14 iso 0 dist 9.86662 9.94764 4.57832 4.00092 7.21868 9.0176 9.71307 5.49782 5.29786 7.93372 numMergedOcc 0
90 mol 134 unq 15 iso 0 dist 9.71307 9.94764 5.29786 4.00092 7.93372 9.0176 11.3835 10.7144 7.1797 9.66543 numMergedOcc 0
91 mol 134 unq 16 iso 0 dist 9.71307 9.94764 5.29786 4.00092 7.93372 9.0176 9.86662 5.49782 4.57832 7.21868 numMergedOcc 0
92 mol 170 unq 0 iso 0 dist 9.76807 6.35982 4.34698 4.78249 9.51256 6.47164 12.8281 8.56034 9.275 9.08274 numMergedOcc 0
93 mol 170 unq 1 iso 0 dist 9.76807 7.51126 5.75144 4.78249 9.51256 9.65126 12.8281 8.56034 12.5696 9.08274 numMergedOcc 0
94 mol 181 unq 0 iso 0 dist 8.03334 6.46704 4.43096 6.50233 9.76212 7.35884 10.9639 6.01247 6.06566 8.59874 numMergedOcc 0
95 mol 181 unq 1 iso 0 dist 7.81386 9.39829 7.20191 5.71898 9.01624 5.99437 9.81747 11.5866 5.48529 5.05973 numMergedOcc 0
96 mol 181 unq 2 iso 0 dist 7.63312 6.41453 7.20191 5.93724 9.01624 5.99437 9.11469 11.5866 5.48529 5.05973 numMergedOcc 0
97 mol 222 unq 0 iso 0 dist 8.01589 7.67576 10.3151 6.84862 14.4477 8.43195 7.21333 13.3522 7.75656 5.56538 numMergedOcc 0
98 mol 222 unq 1 iso 0 dist 8.01589 7.67576 10.3151 9.53117 16.3082 8.23406 7.21333 13.3522 7.75656 7.48954 numMergedOcc 0
99 mol 222 unq 2 iso 0 dist 7.7699 7.67576 7.81022 6.84862 10.0233 8.43195 7.21333 5.24516 7.75656 5.56538 numMergedOcc 0
100 mol 222 unq 3 iso 0 dist 7.7699 7.67576 7.81022 9.53117 11.839 8.23406 7.21333 5.24516 7.75656 7.48954 numMergedOcc 0
101 mol 227 unq 0 iso 0 dist 9.34734 7.43071 6.00424 5.0317 10.7855 9.18728 7.22101 6.99063 6.35849 5.23634 numMergedOcc 0
102 mol 227 unq 1 iso 0 dist 9.34734 7.43071 6.00424 5.0317 10.7855 9.18728 8.65997 7.60506 10.204 6.91318 numMergedOcc 0
103 mol 227 unq 2 iso 0 dist 9.34734 5.41321 10.7656 5.0317 10.7855 8.91971 7.22101 6.99063 10.9607 5.23634 numMergedOcc 0
104 mol 227 unq 3 iso 0 dist 9.34734 5.41321 10.7656 5.0317 10.7855 8.91971 8.65997 7.60506 9.72615 6.91318 numMergedOcc 0
105 mol 227 unq 4 iso 0 dist 7.22101 7.43071 6.35849 5.0317 5.23634 9.18728 8.65997 5.22356 10.204 6.91318 numMergedOcc 0
106 mol 227 unq 5 iso 0 dist 7.22101 5.41321 10.9607 5.0317 5.23634 8.91971 8.65997 5.22356 9.72615 6.91318 numMergedOcc 0
107 mol 227 unq 6 iso 0 dist 8.65997 7.43071 10.204 5.0317 6.91318 9.18728 7.22101 5.22356 6.35849 5.23634 numMergedOcc 0
108 mol 227 unq 7 iso 0 dist 8.65997 5.41321 9.72615 5.0317 6.91318 8.91971 7.22101 5.22356 10.9607 5.23634 numMergedOcc 0
109 mol 227 unq 8 iso 0 dist 7.56888 7.43071 9.76735 5.0317 11.2661 9.18728 7.22101 10.8658 6.35849 5.23634 numMergedOcc 0
110 mol 227 unq 9 iso 0 dist 7.56888 7.43071 9.76735 5.0317 11.2661 9.18728 8.65997 9.70012 10.204 6.91318 numMergedOcc 0
111 mol 227 unq 10 iso 0 dist 7.56888 5.41321 5.10635 5.0317 11.2661 8.91971 7.22101 10.8658 10.9607 5.23634 numMergedOcc 0
112 mol 227 unq 11 iso 0 dist 7.56888 5.41321 5.10635 5.0317 11.2661 8.91971 8.65997 9.70012 9.72615 6.91318 numMergedOcc 0
113 mol 227 unq 12 iso 0 dist 7.55216 7.43071 9.32448 5.0317 12.3663 9.18728 7.22101 12.4689 6.35849 5.23634 numMergedOcc 0
114 mol 227 unq 13 iso 0 dist 7.55216 7.43071 9.32448 5.0317 12.3663 9.18728 8.65997 12.9332 10.204 6.91318 numMergedOcc 0
115 mol 227 unq 14 iso 0 dist 7.55216 5.41321 6.48027 5.0317 12.3663 8.91971 7.22101 12.4689 10.9607 5.23634 numMergedOcc 0
116 mol 227 unq 15 iso 0 dist 7.55216 5.41321 6.48027 5.0317 12.3663 8.91971 8.65997 12.9332 9.72615 6.91318 numMergedOcc 0
117 mol 227 unq 16 iso 0 dist 7.09863 6.02296 6.35849 5.83175 5.23634 9.18728 10.8157 5.22356 10.204 6.91318 numMergedOcc 0
118 mol 229 unq 0 iso 0 dist 8.22528 8.66332 6.65022 5.70473 7.27993 9.37336 11.3979 5.1556 5.42069 9.51168 numMergedOcc 0
119 mol 229 unq 1 iso 0 dist 8.22528 8.66332 6.65022 5.70473 7.27993 9.37336 11.7165 7.0298 10.2411 6.95201 numMergedOcc 0
120 mol 234 unq 0 iso 0 dist 8.41436 7.32499 10.7902 13.1872 17.3846 7.77911 10.3625 16.814 10.0059 7.81215 numMergedOcc 0
121 mol 234 unq 1 iso 0 dist 8.41436 7.32499 10.7902 13.1872 17.3846 7.77911 11.0622 12.7009 5.08515 5.64285 numMergedOcc 0
122 mol 234 unq 2 iso 0 dist 8.92474 7.32499 4.4288 13.1872 11.3419 7.77911 10.3625 14.1297 10.0059 7.81215 numMergedOcc 0
123 mol 234 unq 3 iso 0 dist 8.92474 7.32499 4.4288 13.1872 11.3419 7.77911 11.0622 6.87903 5.08515 5.64285 numMergedOcc 0
124 mol 274 unq 0 iso 0 dist 7.56915 8.52587 5.29529 16.9539 12.8334 8.60027 13.9359 9.15171 6.70925 6.4611 numMergedOcc 0
